4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol

C14H21N3O — CID 107151609

IUPAC4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol
SMILESCC(C)CC(O)CNCc1c[nH]c2ncccc12
InChIInChI=1S/C14H21N3O/c1-10(2)6-12(18)9-15-7-11-8-17-14-13(11)4-3-5-16-14/h3-5,8,10,12,15,18H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyCXLSYAHGWSTSBQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.06
Rot. Bonds6

About 4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol

4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol (PubChem CID 107151609) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol
PubChem CID107151609
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol
SMILESCC(C)CC(O)CNCc1c[nH]c2ncccc12
InChIInChI=1S/C14H21N3O/c1-10(2)6-12(18)9-15-7-11-8-17-14-13(11)4-3-5-16-14/h3-5,8,10,12,15,18H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyCXLSYAHGWSTSBQ-UHFFFAOYSA-N
XLogP2.06
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol
CID 115611326
1-(4-propan-2-ylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66414097
4-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)methyl]phenol
CID 114331386
1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol
CID 110928680
N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propanamide
CID 66414096
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66415655
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
2-[[(2-hydroxy-4-methylpentyl)amino]methyl]phenol;hydrochloride
CID 115603201
(2S)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)butan-1-ol
CID 104980429
4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-3-amine
CID 66415295
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
1-(4,5-dimethylthiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66415887

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol?
The IUPAC name of 4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol (CID 107151609) is 4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol.
What is the SMILES notation for 4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol?
The canonical SMILES for 4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol is CC(C)CC(O)CNCc1c[nH]c2ncccc12.
What is the InChIKey of 4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol?
The InChIKey is CXLSYAHGWSTSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)6-12(18)9-15-7-11-8-17-14-13(11)4-3-5-16-14/h3-5,8,10,12,15,18H,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol?
4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol has a molecular weight of 247.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol is sourced from PubChem (CID 107151609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).